Shiwei Yin

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 18

Top Topics

Molecular Dynamics Simulations

Helicobacter Pylori Infection

Energy Transfer

Top Venues

Inorganic chemistry

The journal of physical chemistry. A

Physical chemistry chemical physics : PCCP

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Xinru Peng, Jiayao Li, Jing-Shuang Dang, Shiwei Yin, Hengyan Zheng, Changwei Wang, Yirong Mo
Conformational Preference of Lithium Polysulfide Clusters Li 2 S x ( x = 4-8) in Lithium-Sulfur Batteries. Inorganic chemistry 63 (10) (2024)
Xinru Peng, Jiayao Li, Jing-Shuang Dang, Shiwei Yin, Hengyan Zheng, Changwei Wang, Yirong Mo
Conformational Preference of Lithium Polysulfide Clusters Li 2 S x ( x = 4-8) in Lithium-Sulfur Batteries. Inorganic chemistry 63 (10) (2024)
Xubin Wang, Changwei Wang, Shiwei Yin
Rapid Estimation of fwhm for OLED Emission Spectra Using Bond-Length and Bond-Order Alterations. Journal of chemical theory and computation (2024)
Xinru Peng, Jiayao Li, Jing-Shuang Dang, Shiwei Yin, Hengyan Zheng, Changwei Wang, Yirong Mo
Conformational Preference of Lithium Polysulfide Clusters Li 2 S x ( x = 4-8) in Lithium-Sulfur Batteries. Inorganic chemistry (2024)
Yanyan Yang, Qianqian Jin, Shiwei Yin
Development of an anisotropic polarizable model for the all-atom AMOEBA force field. Physical chemistry chemical physics : PCCP (2024)
Xinru Peng, Jiayao Li, Jing-Shuang Dang, Shiwei Yin, Hengyan Zheng, Changwei Wang, Yirong Mo
Conformational Preference of Lithium Polysulfide Clusters Li 2 S x ( x = 4-8) in Lithium-Sulfur Batteries. Inorganic chemistry 63 (10) (2024)
Xubin Wang, Shiqi Wang, Jingwen Wang, Shiwei Yin
Reverse Designing the Wavelength-Specific Thermally Activation Delayed Fluorescent Molecules Using a Genetic Algorithm Coupled with Cheap QM Methods. The journal of physical chemistry. A (2023)
Kangying Cao, Shiwei Yin, Yun Wang
Insightful understanding of charge transfer processes in metalated phthalocyanines. Physical chemistry chemical physics : PCCP 24 (13) (2022)
Zhimo Wang, BingBing Suo, Shiwei Yin, Wenli Zou
Quantum Chemical Simulation of the Qy Absorption Spectrum of Zn Chlorin Aggregates for Artificial Photosynthesis. Molecules (Basel, Switzerland) 26 (4) (2021)
Li Chen, Qiuyan Feng, Changwei Wang, Shiwei Yin, Yirong Mo
Classical Electrostatics Remains the Driving Force for Interanion Hydrogen and Halogen Bonding. The journal of physical chemistry. A 125 (48) (2021)
Haiyang Cheng, Xinbo Yao, Shiwei Yin, Tao Wang, Zunting Zhang
Stereoselective Synthesis of (E)-3-Alkylideneoxindoles via Gold(I)-Catalyzed Cross-Coupling of 3-Diazooxindoles with Diazoesters. The Journal of organic chemistry 85 (9) (2020)
Juan Du, Changwei Wang, Shiwei Yin, Wenliang Wang, Yirong Mo
Resonance-assisted/impaired anion-π interaction: towards the design of novel anion receptors. RSC advances 10 (59) (2020)
Junxian Liu, Huajie Yin, Porun Liu, Shan Chen, Shiwei Yin, Wenliang Wang, Huijun Zhao, Yun Wang
Theoretical Understanding of Electrocatalytic Hydrogen Production Performance by Low-Dimensional Metal-Organic Frameworks on the Basis of Resonant Charge-Transfer Mechanisms. The journal of physical chemistry letters 10 (21) (2019)
Lulu Wang, Shiwei Yin
State-specific electrostatic potential descriptors for estimating solvatochromic effects. Journal of molecular modeling 25 (3) (2019)
Tao Xu, Wenliang Wang, Shiwei Yin
Electrostatic Polarization Energies of Charge Carriers in Organic Molecular Crystals: A Comparative Study with Explicit State-Specific Atomic Polarizability Based AMOEBA Force Field and Implicit Solvent Method. Journal of chemical theory and computation 14 (7) (2018)
Tao Xu, Wenliang Wang, Shiwei Yin
Explicit Method To Evaluate the External Reorganization Energy of Charge-Transfer Reactions in Oligoacene Crystals Using the State-Specific Polarizable Force Field. The journal of physical chemistry. A 122 (45) (2018)
Yujuan Dong, Jingshuang Dang, Wenliang Wang, Shiwei Yin, Yun Wang
First-Principles Determination of Active Sites of Ni Metal-Based Electrocatalysts for Hydrogen Evolution Reaction. ACS applied materials & interfaces 10 (46) (2018)
Bing Zhang, Long Huang, Shiwei Yin, Xuetong Li, Tao Xu, Biyang Zhuang, Tao Wang, Zunting Zhang, A Stephen K Hashmi
Cascade C═O/C═C/C-N Bond Formation: Metal-Free Reactions of 1,4-Diynes and 1-En-4-yn-3-ones with Isoquinoline and Quinoline N-Oxides. Organic letters 19 (16) (2017)